[
  {
    "molid": "mol35319",
    "smiles": "C/C(=N\\CC/N=C(\\C)c1ccccc1O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\CC/[NH+]=C(\\C)c1ccccc1O)c1ccccc1[O-]",
        "std_free_energy": -3.9369735717773438,
        "relative_population": 0.13045707414694263
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\CC/N=C(\\C)c1ccccc1O)c1ccccc1O",
        "std_free_energy": -5.677272796630859,
        "relative_population": 0.7434811881010517
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C/C(=N\\CC/[NH+]=C(\\C)c1ccccc1[O-])c1ccccc1O",
        "std_free_energy": -3.902691602706909,
        "relative_population": 0.1260605402636697
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N\\CC/N=C(\\C)c1ccccc1O)c1ccccc1[O-]",
        "std_free_energy": 2.578244924545288,
        "relative_population": 0.9957108196979151
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7600002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]